SCHEMBL2442818

SCHEMBL2442818

O=[N+]([O-])c1cn(Cc2c(Cl)cccc2Cl)c(CCl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 3/20 0.41
SOS1 Q07889 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ACP1 P24666 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2443799 0.88 LMNA (0.47) LMNAHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL27909673 0.79 LMNA (0.46) LMNAHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL2441569 0.73 MITF (0.47) LMNAHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL6929842 0.71 AVPR2 (0.62) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL868798 0.68 ALDH1A1 (0.45) LMNAHTTSMN1; SMN2POLBSOS1
SCHEMBL22619846 0.68 ALDH1A1 (0.62) LMNAHTTSMN1; SMN2POLBALDH1A1
SCHEMBL29975243 0.65 ALDH1A1 (0.53) LMNAHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL10756135 0.65 ALDH1A1 (0.53) LMNAHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL19924926 0.63 SOS1 (0.51) LMNAHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL8758713 0.62 ALDH1A1 (0.74) LMNAHTTSMN1; SMN2CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
CN-103189363-B Biaryl linked aryl triazolones and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 CN disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
CN-103189363-A Biaryl linked aryl triazolones and uses thereof BAYER IP GMBH 2013-07-03 CN disclosed
EP-2539326-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-01-02 EP disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 LMNA 612/4885HTT 476/4885SMN1; SMN2 2876/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 LMNA 612/4885HTT 476/4885SMN1; SMN2 2876/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.